%chk=000197078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197078

0 1
O -3.045836 1.976502 2.658993
O -3.952814 2.397292 0.658925
N 4.040511 -1.189126 1.075303
C 4.427032 0.262715 0.945818
C 3.932849 -1.593672 -0.373402
C 2.503958 0.501858 -0.728352
C 3.117865 1.006833 0.599486
C 2.573373 -1.039132 -0.854604
C 5.455530 0.325880 -0.223392
C 5.128297 -0.903685 -1.097088
C 1.073388 0.980588 -0.870552
C 5.036677 -1.994118 1.835114
C 0.091010 0.598381 0.055194
C 0.721350 1.815812 -1.941489
C -1.228659 1.044386 -0.089426
C -0.596700 2.258519 -2.083066
C -1.575214 1.875758 -1.163440
C -2.264920 0.590908 0.921762
C -3.057358 -0.580035 0.374685
C -3.183960 1.732736 1.311488
C -2.724062 -1.877754 0.790363
C -4.094797 -0.387565 -0.548649
C -3.428553 -2.973868 0.284731
C -4.796187 -1.487455 -1.048481
C -4.465194 -2.781543 -0.633850
H 4.853032 0.656736 1.891265
H 3.960399 -2.696321 -0.491593
H 3.114602 0.932903 -1.563036
H 3.299721 2.093360 0.538416
H 2.401387 0.855849 1.431644
H 1.771816 -1.506565 -0.248211
H 2.386244 -1.337725 -1.900209
H 6.486042 0.282151 0.160126
H 5.373036 1.265776 -0.788015
H 4.871275 -0.619659 -2.127763
H 5.988856 -1.585930 -1.167217
H 5.068481 -1.628442 2.874016
H 6.058814 -1.978024 1.430370
H 4.693248 -3.040436 1.870243
H 0.364740 -0.053239 0.885549
H 1.472640 2.121591 -2.666689
H -0.864406 2.906344 -2.917122
H -2.603018 2.226299 -1.279511
H -1.732299 0.263009 1.863991
H -1.916127 -2.037662 1.502247
H -4.358210 0.622325 -0.873492
H -3.167608 -3.980283 0.608301
H -5.602744 -1.333894 -1.764169
H -3.625117 2.718901 2.979797
H -5.012692 -3.636572 -1.025411


%chk=000197078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197078

0 1
O -3.471365 2.042050 2.588379
O -4.194388 2.340960 0.407561
N 4.111535 -1.356925 0.950663
C 4.441266 0.106518 0.960053
C 3.908761 -1.598979 -0.516277
C 2.489541 0.539150 -0.651423
C 3.122163 0.883553 0.732118
C 2.531854 -1.001516 -0.897317
C 5.458343 0.304912 -0.224193
C 5.096820 -0.845076 -1.223801
C 1.081033 1.106697 -0.812193
C 5.160769 -2.209485 1.556650
C 0.036127 0.730943 0.068598
C 0.780560 2.018630 -1.855163
C -1.277719 1.237781 -0.074210
C -0.525262 2.534111 -2.007452
C -1.557676 2.147576 -1.125105
C -2.351303 0.729492 0.904930
C -3.040047 -0.563571 0.420510
C -3.420773 1.776850 1.212259
C -3.066081 -1.697920 1.268227
C -3.654190 -0.638840 -0.854418
C -3.689246 -2.895265 0.847992
C -4.279656 -1.833257 -1.272913
C -4.298333 -2.966108 -0.425204
H 4.873639 0.386256 1.937492
H 3.915015 -2.684290 -0.722196
H 3.121401 1.014130 -1.429755
H 3.300409 1.974692 0.796373
H 2.424587 0.610183 1.545054
H 1.762352 -1.501636 -0.280923
H 2.298278 -1.212280 -1.959125
H 6.498360 0.207078 0.135168
H 5.361233 1.306520 -0.680176
H 4.800251 -0.462535 -2.216862
H 5.954421 -1.524281 -1.376674
H 5.261258 -1.953201 2.626634
H 6.169925 -2.119916 1.086127
H 4.848647 -3.267246 1.491155
H 0.246989 0.022702 0.880746
H 1.575160 2.325098 -2.547028
H -0.741955 3.241368 -2.816140
H -2.566108 2.557122 -1.241733
H -1.859928 0.504083 1.866318
H -2.599387 -1.644855 2.259593
H -3.642596 0.233478 -1.515879
H -3.698952 -3.767018 1.511887
H -4.751709 -1.881555 -2.260716
H -4.192005 2.707229 2.765744
H -4.782321 -3.892697 -0.753761


